Benzene and substituted derivatives
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2-Chloro-5-nitrobenzaldehyde, 97%
CAS: 6361-21-3 Molecular Formula: C7H4ClNO3 Molecular Weight (g/mol): 185.56 MDL Number: MFCD00007293 InChI Key: VFVHWCKUHAEDMY-UHFFFAOYSA-N Synonym: benzaldehyde, 2-chloro-5-nitro,3-nitro-6-chlorobenzaldehyde,2-chloro-5-nitro-benzaldehyde,unii-pf4ill0i3h,pf4ill0i3h,2-chlor-5-nitrobenzaldehyd,pubchem7375,wln: wnr dg cvh,chloro-5-nitrobenzaldehyde,asischem r37046 PubChem CID: 72933 IUPAC Name: 2-chloro-5-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC=C(Cl)C(C=O)=C1
| PubChem CID | 72933 |
|---|---|
| CAS | 6361-21-3 |
| Molecular Weight (g/mol) | 185.56 |
| MDL Number | MFCD00007293 |
| SMILES | [O-][N+](=O)C1=CC=C(Cl)C(C=O)=C1 |
| Synonym | benzaldehyde, 2-chloro-5-nitro,3-nitro-6-chlorobenzaldehyde,2-chloro-5-nitro-benzaldehyde,unii-pf4ill0i3h,pf4ill0i3h,2-chlor-5-nitrobenzaldehyd,pubchem7375,wln: wnr dg cvh,chloro-5-nitrobenzaldehyde,asischem r37046 |
| IUPAC Name | 2-chloro-5-nitrobenzaldehyde |
| InChI Key | VFVHWCKUHAEDMY-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClNO3 |
3-Nitrobenzotrifluoride, 97%
CAS: 98-46-4 Molecular Formula: C7H4F3NO2 Molecular Weight (g/mol): 191.109 MDL Number: MFCD00007260 InChI Key: WHNAMGUAXHGCHH-UHFFFAOYSA-N Synonym: 3-nitrobenzotrifluoride,1-nitro-3-trifluoromethyl benzene,m-nitrobenzotrifluoride,3-trifluoromethyl nitrobenzene,m-nitrotrifluorotoluene,benzene, 1-nitro-3-trifluoromethyl,1,3-nitrobenzotrifluoride,m-nitrotrifluortoluol,usaf ma-5,3-trifluoromethylnitrobenzene PubChem CID: 7386 IUPAC Name: 1-nitro-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F
| PubChem CID | 7386 |
|---|---|
| CAS | 98-46-4 |
| Molecular Weight (g/mol) | 191.109 |
| MDL Number | MFCD00007260 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F |
| Synonym | 3-nitrobenzotrifluoride,1-nitro-3-trifluoromethyl benzene,m-nitrobenzotrifluoride,3-trifluoromethyl nitrobenzene,m-nitrotrifluorotoluene,benzene, 1-nitro-3-trifluoromethyl,1,3-nitrobenzotrifluoride,m-nitrotrifluortoluol,usaf ma-5,3-trifluoromethylnitrobenzene |
| IUPAC Name | 1-nitro-3-(trifluoromethyl)benzene |
| InChI Key | WHNAMGUAXHGCHH-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3NO2 |
2-Chloro-4-fluorobenzeneboronic acid, 98%
CAS: 313545-72-1 Molecular Formula: C6H5BClFO2 Molecular Weight (g/mol): 174.36 MDL Number: MFCD02684295 InChI Key: XOFNMNLYGPKKOV-UHFFFAOYSA-N Synonym: 2-chloro-4-fluorobenzeneboronic acid,2-chloro-4-fluorophenyl boronic acid,2-chloro-4-fluorophenyl-boronic acid,2-chloro-4-fluoro-phenyl boronic acid,boronic acid, 2-chloro-4-fluorophenyl,pubchem5050,acmc-209hlz,2-chloro-4-trifluoromethylphenylboronicacid,ksc222e3l,ablock ab-12-5093 PubChem CID: 17750229 IUPAC Name: (2-chloro-4-fluorophenyl)boronic acid SMILES: OB(O)C1=CC=C(F)C=C1Cl
| PubChem CID | 17750229 |
|---|---|
| CAS | 313545-72-1 |
| Molecular Weight (g/mol) | 174.36 |
| MDL Number | MFCD02684295 |
| SMILES | OB(O)C1=CC=C(F)C=C1Cl |
| Synonym | 2-chloro-4-fluorobenzeneboronic acid,2-chloro-4-fluorophenyl boronic acid,2-chloro-4-fluorophenyl-boronic acid,2-chloro-4-fluoro-phenyl boronic acid,boronic acid, 2-chloro-4-fluorophenyl,pubchem5050,acmc-209hlz,2-chloro-4-trifluoromethylphenylboronicacid,ksc222e3l,ablock ab-12-5093 |
| IUPAC Name | (2-chloro-4-fluorophenyl)boronic acid |
| InChI Key | XOFNMNLYGPKKOV-UHFFFAOYSA-N |
| Molecular Formula | C6H5BClFO2 |
4-Biphenylcarboxylic acid, 98%
CAS: 92-92-2 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00002553 InChI Key: NNJMFJSKMRYHSR-UHFFFAOYSA-N Synonym: 4-biphenylcarboxylic acid,biphenyl-4-carboxylic acid,1,1'-biphenyl-4-carboxylic acid,p-phenylbenzoic acid,4-carboxybiphenyl,para phenyl benzoic acid,4-diphenylcarboxylic acid,diphenyl-4-carboxylic acid,4-carboxy-1,1'-biphenyl PubChem CID: 66724 IUPAC Name: 4-phenylbenzoic acid SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
| PubChem CID | 66724 |
|---|---|
| CAS | 92-92-2 |
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD00002553 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O |
| Synonym | 4-biphenylcarboxylic acid,biphenyl-4-carboxylic acid,1,1'-biphenyl-4-carboxylic acid,p-phenylbenzoic acid,4-carboxybiphenyl,para phenyl benzoic acid,4-diphenylcarboxylic acid,diphenyl-4-carboxylic acid,4-carboxy-1,1'-biphenyl |
| IUPAC Name | 4-phenylbenzoic acid |
| InChI Key | NNJMFJSKMRYHSR-UHFFFAOYSA-N |
| Molecular Formula | C13H10O2 |
4-Chlorophenylsulfonylacetone, 98+%, Thermo Scientific™
CAS: 5000-48-6 Molecular Formula: C9H9ClO3S Molecular Weight (g/mol): 232.68 MDL Number: MFCD00018663 InChI Key: BRDBHPZILGTBFY-UHFFFAOYSA-N Synonym: 4-chlorophenylsulfonylacetone,1-4-chlorophenyl sulfonyl acetone,1-4-chlorophenyl sulfonyl propan-2-one,4-chlorobenzenesulphonylacetone,p-chlorophenylsulfonylacetone,1-4-chlorobenzenesulfonyl propan-2-one,4-chlorophenylsulfonyl acetone,1-4-chlorophenyl sulfonylpropan-2-one,maybridge1_004685 PubChem CID: 521269 IUPAC Name: 1-(4-chlorophenyl)sulfonylpropan-2-one SMILES: CC(=O)CS(=O)(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 521269 |
|---|---|
| CAS | 5000-48-6 |
| Molecular Weight (g/mol) | 232.68 |
| MDL Number | MFCD00018663 |
| SMILES | CC(=O)CS(=O)(=O)C1=CC=C(Cl)C=C1 |
| Synonym | 4-chlorophenylsulfonylacetone,1-4-chlorophenyl sulfonyl acetone,1-4-chlorophenyl sulfonyl propan-2-one,4-chlorobenzenesulphonylacetone,p-chlorophenylsulfonylacetone,1-4-chlorobenzenesulfonyl propan-2-one,4-chlorophenylsulfonyl acetone,1-4-chlorophenyl sulfonylpropan-2-one,maybridge1_004685 |
| IUPAC Name | 1-(4-chlorophenyl)sulfonylpropan-2-one |
| InChI Key | BRDBHPZILGTBFY-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO3S |
4-Methylbenzophenone, 98%
CAS: 134-84-9 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.249 MDL Number: MFCD00008553 InChI Key: WXPWZZHELZEVPO-UHFFFAOYSA-N Synonym: 4-methylbenzophenone,phenyl p-tolyl methanone,4-methylphenyl phenyl methanone,p-methylbenzophenone,methanone, 4-methylphenyl phenyl,p-benzoyltoluene,4-methyl benzophenone,phenyl p-tolyl ketone,benzophenone, 4-methyl,p-benzophenone, methyl PubChem CID: 8652 IUPAC Name: (4-methylphenyl)-phenylmethanone SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
| PubChem CID | 8652 |
|---|---|
| CAS | 134-84-9 |
| Molecular Weight (g/mol) | 196.249 |
| MDL Number | MFCD00008553 |
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
| Synonym | 4-methylbenzophenone,phenyl p-tolyl methanone,4-methylphenyl phenyl methanone,p-methylbenzophenone,methanone, 4-methylphenyl phenyl,p-benzoyltoluene,4-methyl benzophenone,phenyl p-tolyl ketone,benzophenone, 4-methyl,p-benzophenone, methyl |
| IUPAC Name | (4-methylphenyl)-phenylmethanone |
| InChI Key | WXPWZZHELZEVPO-UHFFFAOYSA-N |
| Molecular Formula | C14H12O |
alpha-Isopropylphenylacetic acid, 97%
CAS: 3508-94-9 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00021708 InChI Key: HDLQGISFYDYWFJ-UHFFFAOYSA-N Synonym: alpha-isopropylphenylacetic acid,2-isopropyl-2-phenylacetic acid,3-methyl-2-phenyl-butyric acid,3-methyl-2-phenylbutyric acid,butyric acid, 3-methyl-2-phenyl,benzeneacetic acid, alpha-1-methylethyl,2-phenylisovaleric acid,acmc-1bn3m,benzeneacetic acid, alpha-1-methylethyl-9ci,alpha-isopropylphenylaceticacid PubChem CID: 19024 IUPAC Name: 3-methyl-2-phenylbutanoic acid SMILES: CC(C)C(C1=CC=CC=C1)C(=O)O
| PubChem CID | 19024 |
|---|---|
| CAS | 3508-94-9 |
| Molecular Weight (g/mol) | 178.231 |
| MDL Number | MFCD00021708 |
| SMILES | CC(C)C(C1=CC=CC=C1)C(=O)O |
| Synonym | alpha-isopropylphenylacetic acid,2-isopropyl-2-phenylacetic acid,3-methyl-2-phenyl-butyric acid,3-methyl-2-phenylbutyric acid,butyric acid, 3-methyl-2-phenyl,benzeneacetic acid, alpha-1-methylethyl,2-phenylisovaleric acid,acmc-1bn3m,benzeneacetic acid, alpha-1-methylethyl-9ci,alpha-isopropylphenylaceticacid |
| IUPAC Name | 3-methyl-2-phenylbutanoic acid |
| InChI Key | HDLQGISFYDYWFJ-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
4-Iodobenzylamine hydrochloride, 97%
CAS: 59528-27-7 Molecular Formula: C7H9ClIN Molecular Weight (g/mol): 269.51 MDL Number: MFCD04039324 InChI Key: GBJMURRFWZREHE-UHFFFAOYSA-N Synonym: 4-iodobenzylamine hydrochloride,4-iodophenyl methanamine hydrochloride,4-iodobenzylamine hcl,benzenemethanamine, 4-iodo-, hydrochloride,4-iodophenyl methylamine, chloride,1-4-iodophenyl methanamine hydrochloride,4-iodobenzylamine, hydrochloride salt,4-iodobenzylaminehydrochloride,pubchem3304,acmc-209tzk PubChem CID: 16217505 IUPAC Name: (4-iodophenyl)methanamine;hydrochloride SMILES: C1=CC(=CC=C1CN)I.Cl
| PubChem CID | 16217505 |
|---|---|
| CAS | 59528-27-7 |
| Molecular Weight (g/mol) | 269.51 |
| MDL Number | MFCD04039324 |
| SMILES | C1=CC(=CC=C1CN)I.Cl |
| Synonym | 4-iodobenzylamine hydrochloride,4-iodophenyl methanamine hydrochloride,4-iodobenzylamine hcl,benzenemethanamine, 4-iodo-, hydrochloride,4-iodophenyl methylamine, chloride,1-4-iodophenyl methanamine hydrochloride,4-iodobenzylamine, hydrochloride salt,4-iodobenzylaminehydrochloride,pubchem3304,acmc-209tzk |
| IUPAC Name | (4-iodophenyl)methanamine;hydrochloride |
| InChI Key | GBJMURRFWZREHE-UHFFFAOYSA-N |
| Molecular Formula | C7H9ClIN |
1-Iodo-2,4-dimethoxybenzene, 97%
CAS: 20469-63-0 Molecular Formula: C8H9IO2 Molecular Weight (g/mol): 264.062 MDL Number: MFCD00059268 InChI Key: ZDUYJCKEORTAQE-UHFFFAOYSA-N Synonym: 2,4-dimethoxyiodobenzene,2,4-dimethoxy-1-iodobenzene,1,3-dimethoxy-4-iodobenzene,1-iodo-2,4-dimethoxy-benzene,benzene, 1-iodo-2,4-dimethoxy,4-iodo-1,3-dimethoxybenzene,pubchem3053,4-iodo-3-methoxy anisole,dimethoxyiodobenzene,cambridge id 5107587 PubChem CID: 140694 IUPAC Name: 1-iodo-2,4-dimethoxybenzene SMILES: COC1=CC(=C(C=C1)I)OC
| PubChem CID | 140694 |
|---|---|
| CAS | 20469-63-0 |
| Molecular Weight (g/mol) | 264.062 |
| MDL Number | MFCD00059268 |
| SMILES | COC1=CC(=C(C=C1)I)OC |
| Synonym | 2,4-dimethoxyiodobenzene,2,4-dimethoxy-1-iodobenzene,1,3-dimethoxy-4-iodobenzene,1-iodo-2,4-dimethoxy-benzene,benzene, 1-iodo-2,4-dimethoxy,4-iodo-1,3-dimethoxybenzene,pubchem3053,4-iodo-3-methoxy anisole,dimethoxyiodobenzene,cambridge id 5107587 |
| IUPAC Name | 1-iodo-2,4-dimethoxybenzene |
| InChI Key | ZDUYJCKEORTAQE-UHFFFAOYSA-N |
| Molecular Formula | C8H9IO2 |
Dibutyl Phthalate, 98%, Spectrum™ Chemical
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CAS: 84-74-2
| CAS | 84-74-2 |
|---|
Methylparaben, Spectrum™ Chemical
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CAS: 99-76-3
| CAS | 99-76-3 |
|---|
2,4-Dichloro-1-iodobenzene, 97%, Thermo Scientific™
CAS: 29898-32-6 Molecular Formula: C6H3Cl2I Molecular Weight (g/mol): 272.894 InChI Key: ZQKJCBDCOGLKCQ-UHFFFAOYSA-N Synonym: 1,3-dichloro-4-iodobenzene,2,4-dichloroiodobenzene,benzene, 2,4-dichloro-1-iodo,1-iodo-2,4-dichlorobenzene,pubchem3692,2,4-dichlor-jodbenzol,acmc-209hbu,1,3-dichloro4-iodobenzene,1,3-dichloro 4-iodobenzene,2,4-dichloro-1-iodo-benzene PubChem CID: 96864 IUPAC Name: 2,4-dichloro-1-iodobenzene SMILES: C1=CC(=C(C=C1Cl)Cl)I
| PubChem CID | 96864 |
|---|---|
| CAS | 29898-32-6 |
| Molecular Weight (g/mol) | 272.894 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)I |
| Synonym | 1,3-dichloro-4-iodobenzene,2,4-dichloroiodobenzene,benzene, 2,4-dichloro-1-iodo,1-iodo-2,4-dichlorobenzene,pubchem3692,2,4-dichlor-jodbenzol,acmc-209hbu,1,3-dichloro4-iodobenzene,1,3-dichloro 4-iodobenzene,2,4-dichloro-1-iodo-benzene |
| IUPAC Name | 2,4-dichloro-1-iodobenzene |
| InChI Key | ZQKJCBDCOGLKCQ-UHFFFAOYSA-N |
| Molecular Formula | C6H3Cl2I |
Cupferron, 97+%
CAS: 135-20-6 Molecular Formula: C6H9N3O2 Molecular Weight (g/mol): 155.16 MDL Number: MFCD00078422 InChI Key: NJVHCUNZAMFQNA-UHFFFAOYSA-N Synonym: cupferron,copperone,azanyliumylidene n-nitroso-n-oxidoaniline PubChem CID: 2724103 IUPAC Name: azanium;N-oxido-N-phenylnitrous amide SMILES: N.ON(N=O)C1=CC=CC=C1
| PubChem CID | 2724103 |
|---|---|
| CAS | 135-20-6 |
| Molecular Weight (g/mol) | 155.16 |
| MDL Number | MFCD00078422 |
| SMILES | N.ON(N=O)C1=CC=CC=C1 |
| Synonym | cupferron,copperone,azanyliumylidene n-nitroso-n-oxidoaniline |
| IUPAC Name | azanium;N-oxido-N-phenylnitrous amide |
| InChI Key | NJVHCUNZAMFQNA-UHFFFAOYSA-N |
| Molecular Formula | C6H9N3O2 |
4-tert-Butylbenzoic acid, 99%
CAS: 98-73-7 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00002563 InChI Key: KDVYCTOWXSLNNI-UHFFFAOYSA-N Synonym: 4-tert-butyl benzoic acid,tbba,p-tert-butylbenzoic acid,benzoic acid, 4-1,1-dimethylethyl,4-t-butylbenzoic acid,benzoic acid, p-tert-butyl,4-tert-butyl-benzoic acid,p-t-butylbenzoic acid,4-tert-butylbenzoicacid,unii-43z7t3vn0r PubChem CID: 7403 ChEBI: CHEBI:34443 IUPAC Name: 4-tert-butylbenzoic acid SMILES: CC(C)(C)C1=CC=C(C=C1)C(O)=O
| PubChem CID | 7403 |
|---|---|
| CAS | 98-73-7 |
| Molecular Weight (g/mol) | 178.23 |
| ChEBI | CHEBI:34443 |
| MDL Number | MFCD00002563 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(O)=O |
| Synonym | 4-tert-butyl benzoic acid,tbba,p-tert-butylbenzoic acid,benzoic acid, 4-1,1-dimethylethyl,4-t-butylbenzoic acid,benzoic acid, p-tert-butyl,4-tert-butyl-benzoic acid,p-t-butylbenzoic acid,4-tert-butylbenzoicacid,unii-43z7t3vn0r |
| IUPAC Name | 4-tert-butylbenzoic acid |
| InChI Key | KDVYCTOWXSLNNI-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
N-Benzylmethylamine, 97%
CAS: 103-67-3 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.18 MDL Number: MFCD00008289 InChI Key: RIWRFSMVIUAEBX-UHFFFAOYSA-N Synonym: n-methylbenzylamine,methylbenzylamine,n-benzylmethylamine,benzyl methyl amine,benzenemethanamine, n-methyl,benzylmethylamine,n-methy-n-benzylamine,n-benzyl-n-methylamine,benzylamine, n-methyl,n-methyl phenyl methanamine PubChem CID: 7669 IUPAC Name: N-methyl-1-phenylmethanamine SMILES: CNCC1=CC=CC=C1
| PubChem CID | 7669 |
|---|---|
| CAS | 103-67-3 |
| Molecular Weight (g/mol) | 121.18 |
| MDL Number | MFCD00008289 |
| SMILES | CNCC1=CC=CC=C1 |
| Synonym | n-methylbenzylamine,methylbenzylamine,n-benzylmethylamine,benzyl methyl amine,benzenemethanamine, n-methyl,benzylmethylamine,n-methy-n-benzylamine,n-benzyl-n-methylamine,benzylamine, n-methyl,n-methyl phenyl methanamine |
| IUPAC Name | N-methyl-1-phenylmethanamine |
| InChI Key | RIWRFSMVIUAEBX-UHFFFAOYSA-N |
| Molecular Formula | C8H11N |